2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine

C21H18Cl2N8 — CID 175915412

IUPAC2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESNCC(CN)(c1nc(Cl)nc(-c2ccccc2)n1)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C21H18Cl2N8/c22-19-28-15(13-7-3-1-4-8-13)26-17(30-19)21(11-24,12-25)18-27-16(29-20(23)31-18)14-9-5-2-6-10-14/h1-10H,11-12,24-25H2
InChIKeyWZSGWGIYDWEXNW-UHFFFAOYSA-N
MW453.34 g/mol
LogP2.90
Rot. Bonds6

About 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine

2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine (PubChem CID 175915412) has the molecular formula C21H18Cl2N8 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine
PubChem CID175915412
Molecular FormulaC21H18Cl2N8
Molecular Weight453.34 g/mol
Exact Mass452.10
IUPAC Name2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESNCC(CN)(c1nc(Cl)nc(-c2ccccc2)n1)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C21H18Cl2N8/c22-19-28-15(13-7-3-1-4-8-13)26-17(30-19)21(11-24,12-25)18-27-16(29-20(23)31-18)14-9-5-2-6-10-14/h1-10H,11-12,24-25H2
InChIKeyWZSGWGIYDWEXNW-UHFFFAOYSA-N
XLogP2.90
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
CID 156828221
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine (CID 175915412) is 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine is NCC(CN)(c1nc(Cl)nc(-c2ccccc2)n1)c1nc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine?
The InChIKey is WZSGWGIYDWEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N8/c22-19-28-15(13-7-3-1-4-8-13)26-17(30-19)21(11-24,12-25)18-27-16(29-20(23)31-18)14-9-5-2-6-10-14/h1-10H,11-12,24-25H2.
What are the key properties of 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine?
2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine has a molecular weight of 453.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chloro-6-phenyl-1,3,5-triazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 175915412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).